smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000072324556 191122515 /nfs/dbraw/zinc/12/25/15/191122515.db2.gz GBAPYUJUACOORU-LPHOPBHVSA-N 1 0 324.472 3.158 40 10 DGCBRO C[NH2+]CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21 ZINC000005812034 181285751 /nfs/dbraw/zinc/28/57/51/181285751.db2.gz VPYWZOXJFGOKCP-UHFFFAOYSA-N 1 0 310.357 3.318 40 10 DGCBRO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccccc1O ZINC000072336905 431336980 /nfs/dbraw/zinc/33/69/80/431336980.db2.gz WWKOPNNOUAFWGL-ZBFHGGJFSA-N 1 0 320.396 3.005 40 10 DGCBRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)c(O)c1 ZINC000019291079 431618030 /nfs/dbraw/zinc/61/80/30/431618030.db2.gz CQSLYDGDCOVHIS-KRWDZBQOSA-N 1 0 315.417 3.252 40 10 DGCBRO CC[N+](=Nc1ccc(C)cc1)NN1C(=O)c2ccccc2C1=O ZINC000408720717 434593529 /nfs/dbraw/zinc/59/35/29/434593529.db2.gz XOPWSBXGFCICTA-UHFFFAOYSA-N 1 0 309.349 3.018 40 10 DGCBRO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000072324559 191122891 /nfs/dbraw/zinc/12/28/91/191122891.db2.gz GBAPYUJUACOORU-QFBILLFUSA-N 1 0 324.472 3.158 40 10 DGCBRO Oc1ccc(OC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000147766060 400652313 /nfs/dbraw/zinc/65/23/13/400652313.db2.gz VJMXXTJAPJRAQL-XJKSGUPXSA-N 1 0 317.360 3.009 40 10 DGCBRO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccccc1O ZINC000072336906 431336861 /nfs/dbraw/zinc/33/68/61/431336861.db2.gz WWKOPNNOUAFWGL-GOEBONIOSA-N 1 0 320.396 3.005 40 10 DGCBRO CCN(CC)c1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000005158363 181211561 /nfs/dbraw/zinc/21/15/61/181211561.db2.gz RQVBGXAJFORDKD-OTWHNJEPSA-N 1 0 302.462 3.489 40 10 DGCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000113704477 431357322 /nfs/dbraw/zinc/35/73/22/431357322.db2.gz NSFBSARFFKHXRF-UHFFFAOYSA-N 1 0 302.418 3.229 40 10 DGCBRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000049168799 431937503 /nfs/dbraw/zinc/93/75/03/431937503.db2.gz RGPCGUJZMSSSOP-HNNXBMFYSA-N 1 0 321.428 3.013 40 10 biogenic,in-vitro DGCBRO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000019567607 182130013 /nfs/dbraw/zinc/13/00/13/182130013.db2.gz GBAPYUJUACOORU-APWZRJJASA-N 1 0 324.472 3.158 40 10 DGCBRO OCC[NH2+][C@@H](Cc1ccccc1)c1c(O)ccc2ccccc21 ZINC000001669467 431235302 /nfs/dbraw/zinc/23/53/02/431235302.db2.gz GSHLIJHTMMLPOQ-SFHVURJKSA-N 1 0 307.393 3.411 40 10 DGCBRO COCCC[N@H+](Cc1ccccn1)Cc1cc(C)ccc1O ZINC000019133163 257231860 /nfs/dbraw/zinc/23/18/60/257231860.db2.gz RYNKDVATNXBQGZ-UHFFFAOYSA-N 1 0 300.402 3.134 40 10 DGCBRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 ZINC000019575094 288313880 /nfs/dbraw/zinc/31/38/80/288313880.db2.gz ZZNBERTYCTXZDQ-WBVHZDCISA-N 1 0 317.452 3.094 40 10 DGCBRO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1O)[NH2+]CC2 ZINC000000036313 545643580 /nfs/dbraw/zinc/64/35/80/545643580.db2.gz PNAGXZKDAYOFFI-LJQANCHMSA-N 1 0 313.397 3.425 40 10 DGCBRO Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)OCO2 ZINC000001587299 304845060 /nfs/dbraw/zinc/84/50/60/304845060.db2.gz OFNMYFVUPBJXHE-GOSISDBHSA-N 1 0 315.344 3.445 40 10 DGCBRO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1O)[NH2+]CC2 ZINC000000036314 545642936 /nfs/dbraw/zinc/64/29/36/545642936.db2.gz PNAGXZKDAYOFFI-IBGZPJMESA-N 1 0 313.397 3.425 40 10 DGCBRO COc1ccc(N=[N+]=c2n(C)c3ccccc3n2C)c(OC)c1 ZINC000004797309 181153353 /nfs/dbraw/zinc/15/33/53/181153353.db2.gz WTXDLGQLIFRGEN-UHFFFAOYSA-N 1 0 311.365 3.435 40 10 DGCBRO c1ccc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012144196 431494984 /nfs/dbraw/zinc/49/49/84/431494984.db2.gz JZSVBEOERCDIDF-UHFFFAOYSA-N 1 0 310.397 3.174 40 10 DGCBRO C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C(=O)c1ccccc1C2=O ZINC000019576375 280177197 /nfs/dbraw/zinc/17/71/97/280177197.db2.gz PKKQIQKRVNDWFM-PXNSSMCTSA-N 1 0 305.377 3.204 40 10 DGCBRO COc1cc2c(cc1OC)[C@@H](Cc1ccc(N)cc1)[N@H+](C)CC2 ZINC000004824429 181157255 /nfs/dbraw/zinc/15/72/55/181157255.db2.gz CCTOTEIXUDCAEO-QGZVFWFLSA-N 1 0 312.413 3.058 40 10 DGCBRO Oc1cc2c(cc1O)[C@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000019691365 285382103 /nfs/dbraw/zinc/38/21/03/285382103.db2.gz BFYLXAXYRKPZOY-HNNXBMFYSA-N 1 0 309.287 3.352 40 10 DGCBRO CC[NH+](CC)Cc1cc(C(C)(C)C)cc(N2CCOCC2)c1O ZINC000001683264 431235376 /nfs/dbraw/zinc/23/53/76/431235376.db2.gz SGEDPYVHGDDVDY-UHFFFAOYSA-N 1 0 320.477 3.368 40 10 DGCBRO Oc1ccc(OC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1O ZINC000147766449 400652987 /nfs/dbraw/zinc/65/29/87/400652987.db2.gz VJMXXTJAPJRAQL-CJNGLKHVSA-N 1 0 317.360 3.009 40 10 DGCBRO Oc1cc2c(cc1[C@H](c1ccc(F)cc1)[NH+]1CCCC1)OCO2 ZINC000006512624 431319198 /nfs/dbraw/zinc/31/91/98/431319198.db2.gz OFNMYFVUPBJXHE-SFHVURJKSA-N 1 0 315.344 3.445 40 10 DGCBRO CCCc1nnc([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)o1 ZINC000049170293 431937481 /nfs/dbraw/zinc/93/74/81/431937481.db2.gz SBEOQZXMAKKCAP-HNNXBMFYSA-N 1 0 314.433 3.078 40 10 biogenic,in-vitro DGCBRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 ZINC000072324508 431336241 /nfs/dbraw/zinc/33/62/41/431336241.db2.gz ZZNBERTYCTXZDQ-RDJZCZTQSA-N 1 0 317.452 3.094 40 10 DGCBRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 ZINC000072324506 431337120 /nfs/dbraw/zinc/33/71/20/431337120.db2.gz ZZNBERTYCTXZDQ-DOTOQJQBSA-N 1 0 317.452 3.094 40 10 DGCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccccc2OC)c1C ZINC000113704238 431358718 /nfs/dbraw/zinc/35/87/18/431358718.db2.gz TXHVJJKJMLKTTP-UHFFFAOYSA-N 1 0 302.418 3.229 40 10 DGCBRO O=C(C[n+]1c(-c2ccccc2)cn2c1SCC2)c1ccccc1 ZINC000013640535 431563963 /nfs/dbraw/zinc/56/39/63/431563963.db2.gz KHRLJSZBGBRIQJ-UHFFFAOYSA-N 1 0 321.425 3.431 40 10 DGCBRO CC[N+](=Nc1ccc(C)cc1)Nn1c(C)nc2ccccc2c1=O ZINC000408720229 434592098 /nfs/dbraw/zinc/59/20/98/434592098.db2.gz JRGZSJLWTKOURC-UHFFFAOYSA-N 1 0 322.392 3.288 40 10 DGCBRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC000257296814 203020465 /nfs/dbraw/zinc/02/04/65/203020465.db2.gz REMMALIPAOTDNK-QGZVFWFLSA-N 1 0 310.445 3.308 40 10 DGCBRO Oc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169359 431936839 /nfs/dbraw/zinc/93/68/39/431936839.db2.gz LVLVLJWBKNRCMS-INIZCTEOSA-N 1 0 321.380 3.432 40 10 biogenic,in-vitro DGCBRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC000257236466 432420398 /nfs/dbraw/zinc/42/03/98/432420398.db2.gz HCIRABDAXXCMBW-GOSISDBHSA-N 1 0 322.456 3.375 40 10 DGCBRO Cc1c[s+]c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n12 ZINC000017222293 281741012 /nfs/dbraw/zinc/74/10/12/281741012.db2.gz SJEGRZPVNHDFFB-IZZDOVSWSA-N 1 0 305.360 3.039 40 10 DGCBRO Cc1ccc(-c2c[nH+]c(NCc3ccc(O)c(O)c3)n2C)cc1 ZINC000033738182 1193906294 /nfs/dbraw/zinc/90/62/94/1193906294.db2.gz ZKTJDYDVZKCDBA-UHFFFAOYSA-N 1 0 309.369 3.419 40 10 DGCBRO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012183895 275044483 /nfs/dbraw/zinc/04/44/83/275044483.db2.gz XLNYPDJRZBBYCK-OAHLLOKOSA-N 1 0 324.380 3.137 40 10 DGCBRO CCN(CC)c1ccc([C@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1 ZINC000005823022 181286754 /nfs/dbraw/zinc/28/67/54/181286754.db2.gz RQVBGXAJFORDKD-GUDVDZBRSA-N 1 0 302.462 3.489 40 10 DGCBRO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2O)[NH2+][C@H]1c1ccccc1O ZINC000097977080 431975213 /nfs/dbraw/zinc/97/52/13/431975213.db2.gz KRXSFOJTJIEHNA-GNTOHDJUSA-N 1 0 311.381 3.325 40 10 DGCBRO CC(=O)Oc1cccc(N[N+](=O)c2cccc(OC(C)=O)c2)c1 ZINC000100367876 257232287 /nfs/dbraw/zinc/23/22/87/257232287.db2.gz DUABHDTWTOZDJM-ISLYRVAYSA-N 1 0 314.297 3.463 40 10 DGCBRO COc1cc2c[n+]3ccc4ccccc4c3c(N)c2cc1OC ZINC000001566773 431229765 /nfs/dbraw/zinc/22/97/65/431229765.db2.gz NMJSJVLDFATUQB-UHFFFAOYSA-N 1 0 305.357 3.331 40 10 DGCBRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC000257236467 432420915 /nfs/dbraw/zinc/42/09/15/432420915.db2.gz HCIRABDAXXCMBW-SFHVURJKSA-N 1 0 322.456 3.375 40 10 DGCBRO CCc1nc2ccccc2c(=O)n1N[N+](CC)=Nc1ccccc1 ZINC000005477457 257218841 /nfs/dbraw/zinc/21/88/41/257218841.db2.gz QZMNNFRMUKTHCR-UHFFFAOYSA-N 1 0 322.392 3.234 40 10 DGCBRO Cc1c[s+]c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n12 ZINC000001636461 281741230 /nfs/dbraw/zinc/74/12/30/281741230.db2.gz SJEGRZPVNHDFFB-WDZFZDKYSA-N 1 0 305.360 3.039 40 10 DGCBRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c(O)c1 ZINC000019291077 431618365 /nfs/dbraw/zinc/61/83/65/431618365.db2.gz CQSLYDGDCOVHIS-QGZVFWFLSA-N 1 0 315.417 3.252 40 10 DGCBRO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2O)[NH2+][C@@H]1c1ccccc1O ZINC000058171944 184084532 /nfs/dbraw/zinc/08/45/32/184084532.db2.gz KRXSFOJTJIEHNA-BMEPFDOTSA-N 1 0 311.381 3.325 40 10 DGCBRO Cn1c2ccccc2[n+]2c1SCC(c1ccc(Cl)cc1)=N2 ZINC000000338137 274655578 /nfs/dbraw/zinc/65/55/78/274655578.db2.gz TXPKKYLTJPBXRQ-UHFFFAOYSA-N 1 0 314.821 3.477 40 10 DGCBRO CC(=O)Oc1ccc(N[N+](=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000104070896 432014177 /nfs/dbraw/zinc/01/41/77/432014177.db2.gz OPUCTUAYXRJCKO-UHFFFAOYSA-N 1 0 314.297 3.463 40 10 DGCBRO COC(=O)Cn1c(C)c(/C=C/c2cccc[n+]2C)c2ccccc21 ZINC000004933028 181175174 /nfs/dbraw/zinc/17/51/74/181175174.db2.gz AHKCYFVVVKBRBO-UHFFFAOYSA-N 1 0 321.400 3.118 40 10 DGCBRO CC[NH+](CC)Cc1cc(NC(C)=O)cc(C[NH+](CC)CC)c1[O-] ZINC000077273458 431579028 /nfs/dbraw/zinc/57/90/28/431579028.db2.gz DWXOUJKPLMZXRR-UHFFFAOYSA-N 1 0 321.465 3.034 40 10 in-vitro DGCBRO Oc1cc2c(cc1O)[C@@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000019691367 280450957 /nfs/dbraw/zinc/45/09/57/280450957.db2.gz BFYLXAXYRKPZOY-OAHLLOKOSA-N 1 0 309.287 3.352 40 10 DGCBRO Cc1nn(-c2ccc(C[NH+](C)C)c(O)c2)nc1-c1ccccc1 ZINC000255189427 576005099 /nfs/dbraw/zinc/00/50/99/576005099.db2.gz PVJSSMBDSPQRAO-UHFFFAOYSA-N 1 0 308.385 3.010 40 10 DGCBRO OCC[NH2+][C@H](Cc1ccccc1)c1c(O)ccc2ccccc21 ZINC000006580766 181357188 /nfs/dbraw/zinc/35/71/88/181357188.db2.gz GSHLIJHTMMLPOQ-GOSISDBHSA-N 1 0 307.393 3.411 40 10 DGCBRO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012183900 275044470 /nfs/dbraw/zinc/04/44/70/275044470.db2.gz XLNYPDJRZBBYCK-HNNXBMFYSA-N 1 0 324.380 3.137 40 10 DGCBRO CCN(CC)c1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000005158386 276341627 /nfs/dbraw/zinc/34/16/27/276341627.db2.gz RQVBGXAJFORDKD-QRVBRYPASA-N 1 0 302.462 3.489 40 10 DGCBRO C[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccccc2)C1 ZINC000005966782 181301994 /nfs/dbraw/zinc/30/19/94/181301994.db2.gz OZWXDWVFTIFZHS-AWEZNQCLSA-N 1 0 303.789 3.371 40 10 in-vitro DGCBRO CC(=O)Oc1cccc(N[N+](=O)c2cccc(OC(C)=O)c2)c1 ZINC000013403736 431555320 /nfs/dbraw/zinc/55/53/20/431555320.db2.gz DUABHDTWTOZDJM-ZCXUNETKSA-N 1 0 314.297 3.463 40 10 DGCBRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183555420 432303067 /nfs/dbraw/zinc/30/30/67/432303067.db2.gz GJJOBXJTTMUWAJ-CABCVRRESA-N 1 0 312.413 3.330 40 10 DGCBRO COCCC[NH2+]Cc1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223674538 432677689 /nfs/dbraw/zinc/67/76/89/432677689.db2.gz PTGKNXRPWMMRME-UHFFFAOYSA-N 1 0 302.418 3.229 40 10 DGCBRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC000257296813 203020540 /nfs/dbraw/zinc/02/05/40/203020540.db2.gz REMMALIPAOTDNK-KRWDZBQOSA-N 1 0 310.445 3.308 40 10 DGCBRO Oc1ccc(OC[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000147766239 400652354 /nfs/dbraw/zinc/65/23/54/400652354.db2.gz VJMXXTJAPJRAQL-CZUORRHYSA-N 1 0 317.360 3.009 40 10 DGCBRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183555372 278053865 /nfs/dbraw/zinc/05/38/65/278053865.db2.gz GJJOBXJTTMUWAJ-LSDHHAIUSA-N 1 0 312.413 3.330 40 10 DGCBRO CS/C(=C/c1ccc2ccccc2[n+]1C)N1CCSCC1 ZINC000001576516 431229410 /nfs/dbraw/zinc/22/94/10/431229410.db2.gz IXXMSCQLKPPBLI-UHFFFAOYSA-N 1 0 317.503 3.375 40 10 DGCBRO O=[N+]([O-])c1ccc(/N=N/c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000016400516 431612568 /nfs/dbraw/zinc/61/25/68/431612568.db2.gz GGFFQYBNMZRTIQ-VHEBQXMUSA-N 1 0 311.345 3.420 40 10 DGCBRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183555404 295372342 /nfs/dbraw/zinc/37/23/42/295372342.db2.gz GJJOBXJTTMUWAJ-GJZGRUSLSA-N 1 0 312.413 3.330 40 10 DGCBRO CCNC(=O)c1cc[n+](CC)c(/C=C\c2c[nH]c3ccccc23)c1 ZINC000004995552 181187353 /nfs/dbraw/zinc/18/73/53/181187353.db2.gz XKYQTKOHGZOLCG-UHFFFAOYSA-O 1 0 320.416 3.395 40 10 DGCBRO CC[NH+](CC)CCOc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004783302 431301866 /nfs/dbraw/zinc/30/18/66/431301866.db2.gz UFKAGGWFBTZZGY-UHFFFAOYSA-N 1 0 323.392 3.183 40 10 DGCBRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1 ZINC000019575092 431619814 /nfs/dbraw/zinc/61/98/14/431619814.db2.gz ZZNBERTYCTXZDQ-NVXWUHKLSA-N 1 0 317.452 3.094 40 10 DGCBRO Cc1nc[nH]c1CSCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423537 182001155 /nfs/dbraw/zinc/00/11/55/182001155.db2.gz LTPAWMMZVBWCDM-UHFFFAOYSA-N 1 0 300.431 3.222 40 10 DGCBRO Oc1cc2c(cc1O)[C@H](c1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000019691374 285381722 /nfs/dbraw/zinc/38/17/22/285381722.db2.gz VYYSRTCJNMCYJU-HNNXBMFYSA-N 1 0 309.287 3.352 40 10 DGCBRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183555389 286501566 /nfs/dbraw/zinc/50/15/66/286501566.db2.gz GJJOBXJTTMUWAJ-HUUCEWRRSA-N 1 0 312.413 3.330 40 10 DGCBRO COc1cc2c(cc1OC)[C@H](Cc1ccc(N)cc1)[N@H+](C)CC2 ZINC000001704425 431236303 /nfs/dbraw/zinc/23/63/03/431236303.db2.gz CCTOTEIXUDCAEO-KRWDZBQOSA-N 1 0 312.413 3.058 40 10 DGCBRO Oc1cc2c(cc1O)[C@@H](c1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000019691376 275060678 /nfs/dbraw/zinc/06/06/78/275060678.db2.gz VYYSRTCJNMCYJU-OAHLLOKOSA-N 1 0 309.287 3.352 40 10 DGCBRO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000019567604 182129975 /nfs/dbraw/zinc/12/99/75/182129975.db2.gz GBAPYUJUACOORU-VQIMIIECSA-N 1 0 324.472 3.158 40 10 DGCBRO Clc1cc(N2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000059569849 184139583 /nfs/dbraw/zinc/13/95/83/184139583.db2.gz GMWFVNNUKZUKHT-UHFFFAOYSA-N 1 0 302.805 3.329 40 10 in-vitro DGCBRO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)C)c1 ZINC000001574819 431229552 /nfs/dbraw/zinc/22/95/52/431229552.db2.gz WFFVOYIYKQPAFS-QZQOTICOSA-N 1 0 319.800 3.084 40 10 DGCBRO Cc1c2cc(I)ccc2c[n+]2ccccc12 ZINC000001730442 431239179 /nfs/dbraw/zinc/23/91/79/431239179.db2.gz IAIFYHINZKXGPQ-UHFFFAOYSA-N 1 0 320.153 3.492 40 10 DGCBRO